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Information card for entry 4510346
Preview
| Coordinates | 4510346.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [C6H7N4][Er(C12H6O4)2(H2O)] |
|---|---|
| Chemical name | [C6H7N4][Er(C12H6O4)2(H2O)] |
| Formula | C30 H21 Er N4 O9 |
| Calculated formula | C30 H21 Er N4 O9 |
| Title of publication | Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties |
| Authors of publication | Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 4 |
| Pages of publication | 1684 |
| a | 11.7276 ± 0.0002 Å |
| b | 15.693 ± 0.0003 Å |
| c | 15.2043 ± 0.0003 Å |
| α | 90° |
| β | 105.308 ± 0.001° |
| γ | 90° |
| Cell volume | 2698.94 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0859 |
| Weighted residual factors for all reflections included in the refinement | 0.0886 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179650 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/03. |
4510346.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4510346.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4510346.cif |
| 109051 | 2014-04-07 | cif/ Adding structures of 4510339, 4510340, 4510341, 4510342, 4510343, 4510344, 4510345, 4510346 via cif-deposit CGI script. |
4510346.cif |
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Users of the data should acknowledge the original authors of the
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